General Information of the Compound
| Compound ID |
CP0432712
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| Compound Name |
4-({1-[3-((3,4-dichlorophenyl){[1-(methylsulfonyl)piperidin-4-yl]carbonyl}amino)propyl]piperidin-4-yl}methyl)benzoic acid
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| Structure |
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| Formula |
C29H37Cl2N3O5S
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| Molecular Weight |
610.604
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| Canonical SMILES |
CS(=O)(=O)N1CCC(CC1)C(=O)N(CCCN1CCC(Cc2ccc(cc2)C(O)=O)CC1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C29H37Cl2N3O5S/c1-40(38,39)33-17-11-23(12-18-33)28(35)34(25-7-8-26(30)27(31)20-25)14-2-13-32-15-9-22(10-16-32)19-21-3-5-24(6-4-21)29(36)37/h3-8,20,22-23H,2,9-19H2,1H3,(H,36,37)
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| InChIKey |
WNDVAOQILMPKNL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound